1-buta-1,3-dien-2-ylcyclohexene

C10H14 — CID 13425641

IUPAC1-buta-1,3-dien-2-ylcyclohexene
SMILESC=CC(=C)C1=CCCCC1
InChIInChI=1S/C10H14/c1-3-9(2)10-7-5-4-6-8-10/h3,7H,1-2,4-6,8H2
InChIKeyQOJGYDVXHLYOSI-UHFFFAOYSA-N
MW134.22 g/mol
LogP3.23
Rot. Bonds2

About 1-buta-1,3-dien-2-ylcyclohexene

1-buta-1,3-dien-2-ylcyclohexene (PubChem CID 13425641) has the molecular formula C10H14 and a molecular weight of 134.22 g/mol. Its IUPAC name is 1-buta-1,3-dien-2-ylcyclohexene.

Molecular Properties

Compound Name1-buta-1,3-dien-2-ylcyclohexene
PubChem CID13425641
Molecular FormulaC10H14
Molecular Weight134.22 g/mol
Exact Mass134.11
IUPAC Name1-buta-1,3-dien-2-ylcyclohexene
SMILESC=CC(=C)C1=CCCCC1
InChIInChI=1S/C10H14/c1-3-9(2)10-7-5-4-6-8-10/h3,7H,1-2,4-6,8H2
InChIKeyQOJGYDVXHLYOSI-UHFFFAOYSA-N
XLogP3.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.22
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-buta-1,3-dien-2-ylcyclohexene?
The IUPAC name of 1-buta-1,3-dien-2-ylcyclohexene (CID 13425641) is 1-buta-1,3-dien-2-ylcyclohexene.
What is the SMILES notation for 1-buta-1,3-dien-2-ylcyclohexene?
The canonical SMILES for 1-buta-1,3-dien-2-ylcyclohexene is C=CC(=C)C1=CCCCC1.
What is the InChIKey of 1-buta-1,3-dien-2-ylcyclohexene?
The InChIKey is QOJGYDVXHLYOSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14/c1-3-9(2)10-7-5-4-6-8-10/h3,7H,1-2,4-6,8H2.
What are the key properties of 1-buta-1,3-dien-2-ylcyclohexene?
1-buta-1,3-dien-2-ylcyclohexene has a molecular weight of 134.22 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-buta-1,3-dien-2-ylcyclohexene is sourced from PubChem (CID 13425641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).